三方晶系钕（3+）离子在同成分铌酸锂中的自旋哈密顿参量和各向异性畸变。
Spin-Hamiltonian parameters and angular distortion for the trigonal Nd(3+) center in congruent LiNbO(3).
机构信息
Department of Material Science, Sichuan University, Chengdu 610064, PR China.
出版信息
Spectrochim Acta A Mol Biomol Spectrosc. 2010 May;75(5):1443-5. doi: 10.1016/j.saa.2010.01.014. Epub 2010 Feb 6.
The 52x52 energy matrix related to the ground multiplet (4)I(9/2) and the first to third excited multiplets (4)I(11/2), (4)I(13/2) and (4)I(15/2) for 4f(3) ions in trigonal crystal field under an external magnetic field is established. By diagonalizing the energy matrix, the spin-Hamiltonian parameters (g factor g(parallel), g(perpendicular) and hyperfine structure constants (143)A(parallel), (143)A( perpendicular), (145)A(parallel), (145)A( perpendicular)) of the trigonal Nd(3+) center in congruent LiNbO(3) crystal are calculated. The calculated results are in reasonable agreement with the experimental values. From the calculations, the negative signs of hyperfine structure constants are suggested and the angular distortion of the trigonal Nd(3+) center in LiNbO(3), which is unable to be determined by EXAFS measurement, is obtained. The results are discussed.
建立了外磁场下三角晶场中 4f(3) 离子的 52x52 能矩阵，涉及基态多重态 (4)I(9/2)和第一到第三激发多重态 (4)I(11/2)、(4)I(13/2)和 (4)I(15/2)。通过对角化能矩阵，计算了一致 LiNbO(3) 晶体中三角 Nd(3+) 中心的自旋哈密顿参数 (g 因子 g(parallel)、g(perpendicular) 和超精细结构常数 (143)A(parallel)、(143)A(perpendicular)、(145)A(parallel)、(145)A(perpendicular))。计算结果与实验值吻合较好。从计算结果中，提出了超精细结构常数的负号，并得到了 LiNbO(3) 中无法通过 EXAFS 测量确定的三角 Nd(3+) 中心的角畸变。对结果进行了讨论。
Zotero 插件